Overview
Brought to you by YData
Dataset statistics
| Number of variables | 27 |
|---|---|
| Number of observations | 26637 |
| Missing cells | 210 |
| Missing cells (%) | < 0.1% |
| Duplicate rows | 0 |
| Duplicate rows (%) | 0.0% |
| Total size in memory | 5.5 MiB |
| Average record size in memory | 216.0 B |
Variable types
| Numeric | 11 |
|---|---|
| Categorical | 16 |
MW is highly overall correlated with NumOfAtoms and 2 other fields | High correlation |
NumHBondDonors is highly overall correlated with hydroxyl (alkyl) and 1 other fields | High correlation |
NumOfAtoms is highly overall correlated with MW and 2 other fields | High correlation |
NumOfC is highly overall correlated with NumOfAtoms | High correlation |
NumOfConf is highly overall correlated with NumOfAtoms and 1 other fields | High correlation |
NumOfN is highly overall correlated with MW and 2 other fields | High correlation |
NumOfO is highly overall correlated with MW and 1 other fields | High correlation |
hydroxyl (alkyl) is highly overall correlated with NumHBondDonors | High correlation |
log_pSat_Pa is highly overall correlated with NumHBondDonors and 1 other fields | High correlation |
nitrate is highly overall correlated with NumOfN | High correlation |
parentspecies is highly imbalanced (57.1%) | Imbalance |
C=C (non-aromatic) is highly imbalanced (72.2%) | Imbalance |
C=C-C=O in non-aromatic ring is highly imbalanced (93.9%) | Imbalance |
ester is highly imbalanced (59.2%) | Imbalance |
nitro is highly imbalanced (60.2%) | Imbalance |
aromatic hydroxyl is highly imbalanced (99.5%) | Imbalance |
carbonylperoxyacid is highly imbalanced (55.8%) | Imbalance |
nitroester is highly imbalanced (93.6%) | Imbalance |
ID is uniformly distributed | Uniform |
ID has unique values | Unique |
NumHBondDonors has 839 (3.1%) zeros | Zeros |
hydroxyl (alkyl) has 11258 (42.3%) zeros | Zeros |
ketone has 9962 (37.4%) zeros | Zeros |
Reproduction
| Analysis started | 2024-11-20 15:04:51.483389 |
|---|---|
| Analysis finished | 2024-11-20 15:05:09.208466 |
| Duration | 17.73 seconds |
| Software version | ydata-profiling vv4.12.0 |
| Download configuration | config.json |
Variables
ID
Real number (ℝ)
Uniform Unique
| Distinct | 26637 |
|---|---|
| Distinct (%) | 100.0% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 15825.703 |
| Minimum | 0 |
|---|---|
| Maximum | 31636 |
| Zeros | 1 |
| Zeros (%) | < 0.1% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 0 |
|---|---|
| 5-th percentile | 1600.8 |
| Q1 | 7914 |
| median | 15840 |
| Q3 | 23720 |
| 95-th percentile | 30063.2 |
| Maximum | 31636 |
| Range | 31636 |
| Interquartile range (IQR) | 15806 |
Descriptive statistics
| Standard deviation | 9133.7084 |
|---|---|
| Coefficient of variation (CV) | 0.57714393 |
| Kurtosis | -1.2008525 |
| Mean | 15825.703 |
| Median Absolute Deviation (MAD) | 7902 |
| Skewness | -0.00063423589 |
| Sum | 4.2154925 × 108 |
| Variance | 83424629 |
| Monotonicity | Strictly increasing |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 31636 | 1 | < 0.1% |
| 0 | 1 | < 0.1% |
| 1 | 1 | < 0.1% |
| 2 | 1 | < 0.1% |
| 3 | 1 | < 0.1% |
| 4 | 1 | < 0.1% |
| 5 | 1 | < 0.1% |
| 6 | 1 | < 0.1% |
| 7 | 1 | < 0.1% |
| 8 | 1 | < 0.1% |
| Other values (26627) | 26627 |
| Value | Count | Frequency (%) |
| 0 | 1 | |
| 1 | 1 | |
| 2 | 1 | |
| 3 | 1 | |
| 4 | 1 | |
| 5 | 1 | |
| 6 | 1 | |
| 7 | 1 | |
| 8 | 1 | |
| 9 | 1 |
| Value | Count | Frequency (%) |
| 31636 | 1 | |
| 31635 | 1 | |
| 31634 | 1 | |
| 31633 | 1 | |
| 31632 | 1 | |
| 31631 | 1 | |
| 31630 | 1 | |
| 31629 | 1 | |
| 31628 | 1 | |
| 31627 | 1 |
log_pSat_Pa
Real number (ℝ)
High correlation
| Distinct | 26591 |
|---|---|
| Distinct (%) | 99.8% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | -5.5167469 |
| Minimum | -18.822563 |
|---|---|
| Maximum | 8.3906421 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 25710 |
| Negative (%) | 96.5% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | -18.822563 |
|---|---|
| 5-th percentile | -10.793023 |
| Q1 | -7.5151473 |
| median | -5.4505772 |
| Q3 | -3.4291923 |
| 95-th percentile | -0.54476426 |
| Maximum | 8.3906421 |
| Range | 27.213205 |
| Interquartile range (IQR) | 4.085955 |
Descriptive statistics
| Standard deviation | 3.1201914 |
|---|---|
| Coefficient of variation (CV) | -0.56558538 |
| Kurtosis | 0.23876738 |
| Mean | -5.5167469 |
| Median Absolute Deviation (MAD) | 2.0445682 |
| Skewness | -0.14345662 |
| Sum | -146949.59 |
| Variance | 9.7355942 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 0.08358874357 | 3 | < 0.1% |
| 0.01108456436 | 3 | < 0.1% |
| 0.3380478075 | 3 | < 0.1% |
| 0.9150408211 | 2 | < 0.1% |
| 0.474454863 | 2 | < 0.1% |
| 0.06874854832 | 2 | < 0.1% |
| 0.07758546079 | 2 | < 0.1% |
| 0.5585435055 | 2 | < 0.1% |
| 0.5107249221 | 2 | < 0.1% |
| 1.078352744 | 2 | < 0.1% |
| Other values (26581) | 26614 |
| Value | Count | Frequency (%) |
| -18.82256317 | 1 | |
| -18.7418241 | 1 | |
| -18.56600316 | 1 | |
| -18.42315725 | 1 | |
| -18.33934555 | 1 | |
| -18.26182172 | 1 | |
| -18.11947865 | 1 | |
| -17.77948235 | 1 | |
| -17.74949752 | 1 | |
| -17.37059213 | 1 |
| Value | Count | Frequency (%) |
| 8.39064211 | 1 | |
| 8.308679536 | 1 | |
| 6.927532486 | 1 | |
| 5.90998006 | 1 | |
| 5.740813427 | 1 | |
| 5.698798782 | 1 | |
| 5.621309793 | 1 | |
| 5.370839707 | 1 | |
| 5.138769508 | 1 | |
| 5.094720085 | 1 |
MW
Real number (ℝ)
High correlation
| Distinct | 774 |
|---|---|
| Distinct (%) | 2.9% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 264.63834 |
| Minimum | 30.010565 |
|---|---|
| Maximum | 386.0445 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 30.010565 |
|---|---|
| 5-th percentile | 179.0066 |
| Q1 | 233.01717 |
| median | 266.98626 |
| Q3 | 299.01247 |
| 95-th percentile | 343.96117 |
| Maximum | 386.0445 |
| Range | 356.03394 |
| Interquartile range (IQR) | 65.995309 |
Descriptive statistics
| Standard deviation | 49.618151 |
|---|---|
| Coefficient of variation (CV) | 0.18749419 |
| Kurtosis | -0.18936714 |
| Mean | 264.63834 |
| Median Absolute Deviation (MAD) | 32.985078 |
| Skewness | -0.21402159 |
| Sum | 7049171.5 |
| Variance | 2461.9609 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 253.0069954 | 378 | 1.4% |
| 267.0226455 | 312 | 1.2% |
| 312.0077237 | 309 | 1.2% |
| 265.0069954 | 307 | 1.2% |
| 234.9964307 | 276 | 1.0% |
| 237.0120808 | 270 | 1.0% |
| 249.0120808 | 248 | 0.9% |
| 269.00191 | 248 | 0.9% |
| 283.0175601 | 247 | 0.9% |
| 297.9920736 | 246 | 0.9% |
| Other values (764) | 23796 |
| Value | Count | Frequency (%) |
| 30.01056468 | 1 | |
| 44.02621475 | 1 | |
| 60.02112937 | 1 | |
| 71.98474386 | 1 | |
| 72.02112937 | 1 | |
| 74.00039392 | 1 | |
| 74.03677943 | 2 | |
| 74.99564289 | 1 | |
| 76.01604399 | 1 | |
| 86.00039392 | 1 |
| Value | Count | Frequency (%) |
| 386.0445031 | 1 | < 0.1% |
| 386.0445031 | 35 | 0.1% |
| 377.9666467 | 13 | < 0.1% |
| 377.9666467 | 2 | < 0.1% |
| 373.9717321 | 136 | |
| 370.0495885 | 25 | 0.1% |
| 370.0495885 | 46 | 0.2% |
| 368.0339384 | 37 | 0.1% |
| 368.0339384 | 48 | 0.2% |
| 361.9717321 | 74 |
NumOfAtoms
Real number (ℝ)
High correlation
| Distinct | 38 |
|---|---|
| Distinct (%) | 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 26.251567 |
| Minimum | 4 |
|---|---|
| Maximum | 41 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 4 |
|---|---|
| 5-th percentile | 18 |
| Q1 | 23 |
| median | 26 |
| Q3 | 30 |
| 95-th percentile | 36 |
| Maximum | 41 |
| Range | 37 |
| Interquartile range (IQR) | 7 |
Descriptive statistics
| Standard deviation | 5.2298184 |
|---|---|
| Coefficient of variation (CV) | 0.19921928 |
| Kurtosis | -0.15084496 |
| Mean | 26.251567 |
| Median Absolute Deviation (MAD) | 4 |
| Skewness | 0.2106235 |
| Sum | 699263 |
| Variance | 27.351 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=38)
| Value | Count | Frequency (%) |
| 25 | 2256 | 8.5% |
| 27 | 2019 | 7.6% |
| 24 | 1997 | 7.5% |
| 26 | 1898 | 7.1% |
| 22 | 1856 | 7.0% |
| 23 | 1811 | 6.8% |
| 28 | 1751 | 6.6% |
| 29 | 1573 | 5.9% |
| 21 | 1407 | 5.3% |
| 30 | 1346 | 5.1% |
| Other values (28) | 8723 |
| Value | Count | Frequency (%) |
| 4 | 1 | < 0.1% |
| 5 | 1 | < 0.1% |
| 6 | 1 | < 0.1% |
| 7 | 2 | < 0.1% |
| 8 | 5 | < 0.1% |
| 9 | 7 | < 0.1% |
| 10 | 8 | < 0.1% |
| 11 | 17 | 0.1% |
| 12 | 25 | |
| 13 | 45 |
| Value | Count | Frequency (%) |
| 41 | 16 | 0.1% |
| 40 | 95 | 0.4% |
| 39 | 168 | 0.6% |
| 38 | 213 | 0.8% |
| 37 | 478 | |
| 36 | 518 | |
| 35 | 512 | |
| 34 | 747 | |
| 33 | 866 | |
| 32 | 772 |
NumOfC
Real number (ℝ)
High correlation
| Distinct | 10 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 6.8624094 |
| Minimum | 1 |
|---|---|
| Maximum | 10 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 1 |
|---|---|
| 5-th percentile | 5 |
| Q1 | 6 |
| median | 7 |
| Q3 | 7 |
| 95-th percentile | 10 |
| Maximum | 10 |
| Range | 9 |
| Interquartile range (IQR) | 1 |
Descriptive statistics
| Standard deviation | 1.453679 |
|---|---|
| Coefficient of variation (CV) | 0.21183215 |
| Kurtosis | 0.19243115 |
| Mean | 6.8624094 |
| Median Absolute Deviation (MAD) | 1 |
| Skewness | 0.51077538 |
| Sum | 182794 |
| Variance | 2.1131826 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=10)
| Value | Count | Frequency (%) |
| 7 | 9295 | |
| 6 | 8015 | |
| 5 | 2628 | 9.9% |
| 10 | 2173 | 8.2% |
| 9 | 2084 | 7.8% |
| 8 | 1603 | 6.0% |
| 4 | 694 | 2.6% |
| 3 | 125 | 0.5% |
| 2 | 18 | 0.1% |
| 1 | 2 | < 0.1% |
| Value | Count | Frequency (%) |
| 1 | 2 | < 0.1% |
| 2 | 18 | 0.1% |
| 3 | 125 | 0.5% |
| 4 | 694 | 2.6% |
| 5 | 2628 | 9.9% |
| 6 | 8015 | |
| 7 | 9295 | |
| 8 | 1603 | 6.0% |
| 9 | 2084 | 7.8% |
| 10 | 2173 | 8.2% |
| Value | Count | Frequency (%) |
| 10 | 2173 | 8.2% |
| 9 | 2084 | 7.8% |
| 8 | 1603 | 6.0% |
| 7 | 9295 | |
| 6 | 8015 | |
| 5 | 2628 | 9.9% |
| 4 | 694 | 2.6% |
| 3 | 125 | 0.5% |
| 2 | 18 | 0.1% |
| 1 | 2 | < 0.1% |
NumOfO
Real number (ℝ)
High correlation
| Distinct | 18 |
|---|---|
| Distinct (%) | 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 9.9370425 |
| Minimum | 0 |
|---|---|
| Maximum | 17 |
| Zeros | 1 |
| Zeros (%) | < 0.1% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 0 |
|---|---|
| 5-th percentile | 6 |
| Q1 | 8 |
| median | 10 |
| Q3 | 12 |
| 95-th percentile | 14 |
| Maximum | 17 |
| Range | 17 |
| Interquartile range (IQR) | 4 |
Descriptive statistics
| Standard deviation | 2.4851671 |
|---|---|
| Coefficient of variation (CV) | 0.25009123 |
| Kurtosis | -0.21760969 |
| Mean | 9.9370425 |
| Median Absolute Deviation (MAD) | 2 |
| Skewness | -0.092496213 |
| Sum | 264693 |
| Variance | 6.1760557 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=18)
| Value | Count | Frequency (%) |
| 10 | 4073 | |
| 9 | 4033 | |
| 11 | 3709 | |
| 12 | 3160 | |
| 8 | 2941 | |
| 13 | 2435 | |
| 7 | 2222 | |
| 6 | 1307 | 4.9% |
| 14 | 939 | 3.5% |
| 15 | 619 | 2.3% |
| Other values (8) | 1199 | 4.5% |
| Value | Count | Frequency (%) |
| 0 | 1 | < 0.1% |
| 1 | 4 | < 0.1% |
| 2 | 33 | 0.1% |
| 3 | 101 | 0.4% |
| 4 | 226 | 0.8% |
| 5 | 609 | 2.3% |
| 6 | 1307 | 4.9% |
| 7 | 2222 | |
| 8 | 2941 | |
| 9 | 4033 |
| Value | Count | Frequency (%) |
| 17 | 15 | 0.1% |
| 16 | 210 | 0.8% |
| 15 | 619 | 2.3% |
| 14 | 939 | 3.5% |
| 13 | 2435 | |
| 12 | 3160 | |
| 11 | 3709 | |
| 10 | 4073 | |
| 9 | 4033 | |
| 8 | 2941 |
NumOfN
Categorical
High correlation
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 1 | |
|---|---|
| 2 | |
| 0 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 2 |
| 3rd row | 2 |
| 4th row | 1 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 1 | 13074 | |
| 2 | 7628 | |
| 0 | 5935 |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 1 | 13074 | |
| 2 | 7628 | |
| 0 | 5935 |
Most occurring characters
| Value | Count | Frequency (%) |
| 1 | 13074 | |
| 2 | 7628 | |
| 0 | 5935 |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 1 | 13074 | |
| 2 | 7628 | |
| 0 | 5935 |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 1 | 13074 | |
| 2 | 7628 | |
| 0 | 5935 |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 1 | 13074 | |
| 2 | 7628 | |
| 0 | 5935 |
NumHBondDonors
Real number (ℝ)
High correlation Zeros
| Distinct | 7 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 2.2016368 |
| Minimum | 0 |
|---|---|
| Maximum | 6 |
| Zeros | 839 |
| Zeros (%) | 3.1% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 0 |
|---|---|
| 5-th percentile | 1 |
| Q1 | 2 |
| median | 2 |
| Q3 | 3 |
| 95-th percentile | 4 |
| Maximum | 6 |
| Range | 6 |
| Interquartile range (IQR) | 1 |
Descriptive statistics
| Standard deviation | 1.0210285 |
|---|---|
| Coefficient of variation (CV) | 0.46375882 |
| Kurtosis | -0.13411816 |
| Mean | 2.2016368 |
| Median Absolute Deviation (MAD) | 1 |
| Skewness | 0.22269893 |
| Sum | 58645 |
| Variance | 1.0424992 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=7)
| Value | Count | Frequency (%) |
| 2 | 10219 | |
| 3 | 7106 | |
| 1 | 5790 | |
| 4 | 2332 | 8.8% |
| 0 | 839 | 3.1% |
| 5 | 335 | 1.3% |
| 6 | 16 | 0.1% |
| Value | Count | Frequency (%) |
| 0 | 839 | 3.1% |
| 1 | 5790 | |
| 2 | 10219 | |
| 3 | 7106 | |
| 4 | 2332 | 8.8% |
| 5 | 335 | 1.3% |
| 6 | 16 | 0.1% |
| Value | Count | Frequency (%) |
| 6 | 16 | 0.1% |
| 5 | 335 | 1.3% |
| 4 | 2332 | 8.8% |
| 3 | 7106 | |
| 2 | 10219 | |
| 1 | 5790 | |
| 0 | 839 | 3.1% |
NumOfConf
Real number (ℝ)
High correlation
| Distinct | 1056 |
|---|---|
| Distinct (%) | 4.0% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 229.85678 |
| Minimum | 1 |
|---|---|
| Maximum | 1743 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 1 |
|---|---|
| 5-th percentile | 16 |
| Q1 | 72 |
| median | 173 |
| Q3 | 332 |
| 95-th percentile | 635 |
| Maximum | 1743 |
| Range | 1742 |
| Interquartile range (IQR) | 260 |
Descriptive statistics
| Standard deviation | 203.23431 |
|---|---|
| Coefficient of variation (CV) | 0.88417802 |
| Kurtosis | 2.4202296 |
| Mean | 229.85678 |
| Median Absolute Deviation (MAD) | 118 |
| Skewness | 1.4087215 |
| Sum | 6122695 |
| Variance | 41304.185 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 27 | 126 | 0.5% |
| 24 | 117 | 0.4% |
| 31 | 117 | 0.4% |
| 16 | 114 | 0.4% |
| 42 | 114 | 0.4% |
| 9 | 114 | 0.4% |
| 43 | 112 | 0.4% |
| 29 | 111 | 0.4% |
| 15 | 107 | 0.4% |
| 22 | 107 | 0.4% |
| Other values (1046) | 25498 |
| Value | Count | Frequency (%) |
| 1 | 46 | |
| 2 | 52 | |
| 3 | 92 | |
| 4 | 74 | |
| 5 | 79 | |
| 6 | 88 | |
| 7 | 96 | |
| 8 | 87 | |
| 9 | 114 | |
| 10 | 103 |
| Value | Count | Frequency (%) |
| 1743 | 1 | |
| 1575 | 1 | |
| 1552 | 1 | |
| 1510 | 1 | |
| 1439 | 1 | |
| 1437 | 1 | |
| 1382 | 1 | |
| 1380 | 1 | |
| 1371 | 1 | |
| 1343 | 1 |
NumOfConfUsed
Real number (ℝ)
| Distinct | 40 |
|---|---|
| Distinct (%) | 0.2% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 25.700417 |
| Minimum | 1 |
|---|---|
| Maximum | 40 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 1 |
|---|---|
| 5-th percentile | 2 |
| Q1 | 11 |
| median | 30 |
| Q3 | 40 |
| 95-th percentile | 40 |
| Maximum | 40 |
| Range | 39 |
| Interquartile range (IQR) | 29 |
Descriptive statistics
| Standard deviation | 14.689993 |
|---|---|
| Coefficient of variation (CV) | 0.57158578 |
| Kurtosis | -1.5052882 |
| Mean | 25.700417 |
| Median Absolute Deviation (MAD) | 10 |
| Skewness | -0.3726763 |
| Sum | 684582 |
| Variance | 215.79589 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=40)
| Value | Count | Frequency (%) |
| 40 | 10825 | |
| 1 | 839 | 3.1% |
| 2 | 743 | 2.8% |
| 3 | 725 | 2.7% |
| 4 | 675 | 2.5% |
| 6 | 642 | 2.4% |
| 5 | 628 | 2.4% |
| 7 | 589 | 2.2% |
| 8 | 565 | 2.1% |
| 9 | 540 | 2.0% |
| Other values (30) | 9866 |
| Value | Count | Frequency (%) |
| 1 | 839 | |
| 2 | 743 | |
| 3 | 725 | |
| 4 | 675 | |
| 5 | 628 | |
| 6 | 642 | |
| 7 | 589 | |
| 8 | 565 | |
| 9 | 540 | |
| 10 | 524 |
| Value | Count | Frequency (%) |
| 40 | 10825 | |
| 39 | 375 | 1.4% |
| 38 | 247 | 0.9% |
| 37 | 265 | 1.0% |
| 36 | 239 | 0.9% |
| 35 | 246 | 0.9% |
| 34 | 223 | 0.8% |
| 33 | 240 | 0.9% |
| 32 | 246 | 0.9% |
| 31 | 263 | 1.0% |
parentspecies
Categorical
Imbalance
| Distinct | 7 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 210 |
| Missing (%) | 0.8% |
| Memory size | 208.2 KiB |
| toluene | |
|---|---|
| apin | |
| decane | |
| apin_decane | 46 |
| apin_toluene | 37 |
| Other values (2) | 11 |
Length
| Max length | 19 |
|---|---|
| Median length | 7 |
| Mean length | 6.2347977 |
| Min length | 4 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | toluene |
|---|---|
| 2nd row | apin |
| 3rd row | apin |
| 4th row | toluene |
| 5th row | toluene |
Common Values
| Value | Count | Frequency (%) |
| toluene | 17950 | |
| apin | 6165 | 23.1% |
| decane | 2218 | 8.3% |
| apin_decane | 46 | 0.2% |
| apin_toluene | 37 | 0.1% |
| apin_decane_toluene | 9 | < 0.1% |
| decane_toluene | 2 | < 0.1% |
| (Missing) | 210 | 0.8% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| toluene | 17950 | |
| apin | 6165 | 23.3% |
| decane | 2218 | 8.4% |
| apin_decane | 46 | 0.2% |
| apin_toluene | 37 | 0.1% |
| apin_decane_toluene | 9 | < 0.1% |
| decane_toluene | 2 | < 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| e | 40546 | |
| n | 26530 | |
| t | 17998 | |
| o | 17998 | |
| u | 17998 | |
| l | 17998 | |
| a | 8532 | 5.2% |
| p | 6257 | 3.8% |
| i | 6257 | 3.8% |
| d | 2275 | 1.4% |
| Other values (2) | 2378 | 1.4% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 164767 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| e | 40546 | |
| n | 26530 | |
| t | 17998 | |
| o | 17998 | |
| u | 17998 | |
| l | 17998 | |
| a | 8532 | 5.2% |
| p | 6257 | 3.8% |
| i | 6257 | 3.8% |
| d | 2275 | 1.4% |
| Other values (2) | 2378 | 1.4% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 164767 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| e | 40546 | |
| n | 26530 | |
| t | 17998 | |
| o | 17998 | |
| u | 17998 | |
| l | 17998 | |
| a | 8532 | 5.2% |
| p | 6257 | 3.8% |
| i | 6257 | 3.8% |
| d | 2275 | 1.4% |
| Other values (2) | 2378 | 1.4% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 164767 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| e | 40546 | |
| n | 26530 | |
| t | 17998 | |
| o | 17998 | |
| u | 17998 | |
| l | 17998 | |
| a | 8532 | 5.2% |
| p | 6257 | 3.8% |
| i | 6257 | 3.8% |
| d | 2275 | 1.4% |
| Other values (2) | 2378 | 1.4% |
C=C (non-aromatic)
Categorical
Imbalance
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | 2414 |
| 2 | 5 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 24218 | |
| 1 | 2414 | 9.1% |
| 2 | 5 | < 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 24218 | |
| 1 | 2414 | 9.1% |
| 2 | 5 | < 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 24218 | |
| 1 | 2414 | 9.1% |
| 2 | 5 | < 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 24218 | |
| 1 | 2414 | 9.1% |
| 2 | 5 | < 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 24218 | |
| 1 | 2414 | 9.1% |
| 2 | 5 | < 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 24218 | |
| 1 | 2414 | 9.1% |
| 2 | 5 | < 0.1% |
C=C-C=O in non-aromatic ring
Categorical
Imbalance
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | 269 |
| 2 | 39 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 26329 | |
| 1 | 269 | 1.0% |
| 2 | 39 | 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 26329 | |
| 1 | 269 | 1.0% |
| 2 | 39 | 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 26329 | |
| 1 | 269 | 1.0% |
| 2 | 39 | 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26329 | |
| 1 | 269 | 1.0% |
| 2 | 39 | 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26329 | |
| 1 | 269 | 1.0% |
| 2 | 39 | 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26329 | |
| 1 | 269 | 1.0% |
| 2 | 39 | 0.1% |
hydroxyl (alkyl)
Real number (ℝ)
High correlation Zeros
| Distinct | 6 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 0.82377895 |
| Minimum | 0 |
|---|---|
| Maximum | 5 |
| Zeros | 11258 |
| Zeros (%) | 42.3% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 0 |
|---|---|
| 5-th percentile | 0 |
| Q1 | 0 |
| median | 1 |
| Q3 | 1 |
| 95-th percentile | 2 |
| Maximum | 5 |
| Range | 5 |
| Interquartile range (IQR) | 1 |
Descriptive statistics
| Standard deviation | 0.86909396 |
|---|---|
| Coefficient of variation (CV) | 1.0550087 |
| Kurtosis | 0.55379325 |
| Mean | 0.82377895 |
| Median Absolute Deviation (MAD) | 1 |
| Skewness | 0.94429217 |
| Sum | 21943 |
| Variance | 0.75532431 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=6)
| Value | Count | Frequency (%) |
| 0 | 11258 | |
| 1 | 10208 | |
| 2 | 3941 | 14.8% |
| 3 | 1073 | 4.0% |
| 4 | 151 | 0.6% |
| 5 | 6 | < 0.1% |
| Value | Count | Frequency (%) |
| 0 | 11258 | |
| 1 | 10208 | |
| 2 | 3941 | 14.8% |
| 3 | 1073 | 4.0% |
| 4 | 151 | 0.6% |
| 5 | 6 | < 0.1% |
| Value | Count | Frequency (%) |
| 5 | 6 | < 0.1% |
| 4 | 151 | 0.6% |
| 3 | 1073 | 4.0% |
| 2 | 3941 | 14.8% |
| 1 | 10208 | |
| 0 | 11258 |
aldehyde
Categorical
| Distinct | 5 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | |
| 2 | |
| 3 | 181 |
| 4 | 3 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 1 |
|---|---|
| 2nd row | 1 |
| 3rd row | 1 |
| 4th row | 0 |
| 5th row | 2 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 14820 | |
| 1 | 9480 | |
| 2 | 2153 | 8.1% |
| 3 | 181 | 0.7% |
| 4 | 3 | < 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 14820 | |
| 1 | 9480 | |
| 2 | 2153 | 8.1% |
| 3 | 181 | 0.7% |
| 4 | 3 | < 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 14820 | |
| 1 | 9480 | |
| 2 | 2153 | 8.1% |
| 3 | 181 | 0.7% |
| 4 | 3 | < 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 14820 | |
| 1 | 9480 | |
| 2 | 2153 | 8.1% |
| 3 | 181 | 0.7% |
| 4 | 3 | < 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 14820 | |
| 1 | 9480 | |
| 2 | 2153 | 8.1% |
| 3 | 181 | 0.7% |
| 4 | 3 | < 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 14820 | |
| 1 | 9480 | |
| 2 | 2153 | 8.1% |
| 3 | 181 | 0.7% |
| 4 | 3 | < 0.1% |
ketone
Real number (ℝ)
Zeros
| Distinct | 6 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 0.93013477 |
| Minimum | 0 |
|---|---|
| Maximum | 5 |
| Zeros | 9962 |
| Zeros (%) | 37.4% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 208.2 KiB |
Quantile statistics
| Minimum | 0 |
|---|---|
| 5-th percentile | 0 |
| Q1 | 0 |
| median | 1 |
| Q3 | 1 |
| 95-th percentile | 3 |
| Maximum | 5 |
| Range | 5 |
| Interquartile range (IQR) | 1 |
Descriptive statistics
| Standard deviation | 0.89732254 |
|---|---|
| Coefficient of variation (CV) | 0.96472314 |
| Kurtosis | 0.07079395 |
| Mean | 0.93013477 |
| Median Absolute Deviation (MAD) | 1 |
| Skewness | 0.74504856 |
| Sum | 24776 |
| Variance | 0.80518775 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=6)
| Value | Count | Frequency (%) |
| 1 | 10142 | |
| 0 | 9962 | |
| 2 | 5151 | |
| 3 | 1199 | 4.5% |
| 4 | 180 | 0.7% |
| 5 | 3 | < 0.1% |
| Value | Count | Frequency (%) |
| 0 | 9962 | |
| 1 | 10142 | |
| 2 | 5151 | |
| 3 | 1199 | 4.5% |
| 4 | 180 | 0.7% |
| 5 | 3 | < 0.1% |
| Value | Count | Frequency (%) |
| 5 | 3 | < 0.1% |
| 4 | 180 | 0.7% |
| 3 | 1199 | 4.5% |
| 2 | 5151 | |
| 1 | 10142 | |
| 0 | 9962 |
carboxylic acid
Categorical
| Distinct | 4 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | |
| 2 | 685 |
| 3 | 14 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 1 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 18141 | |
| 1 | 7797 | |
| 2 | 685 | 2.6% |
| 3 | 14 | 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 18141 | |
| 1 | 7797 | |
| 2 | 685 | 2.6% |
| 3 | 14 | 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 18141 | |
| 1 | 7797 | |
| 2 | 685 | 2.6% |
| 3 | 14 | 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 18141 | |
| 1 | 7797 | |
| 2 | 685 | 2.6% |
| 3 | 14 | 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 18141 | |
| 1 | 7797 | |
| 2 | 685 | 2.6% |
| 3 | 14 | 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 18141 | |
| 1 | 7797 | |
| 2 | 685 | 2.6% |
| 3 | 14 | 0.1% |
ester
Categorical
Imbalance
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | |
| 2 | 826 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 23292 | |
| 1 | 2519 | 9.5% |
| 2 | 826 | 3.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 23292 | |
| 1 | 2519 | 9.5% |
| 2 | 826 | 3.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 23292 | |
| 1 | 2519 | 9.5% |
| 2 | 826 | 3.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 23292 | |
| 1 | 2519 | 9.5% |
| 2 | 826 | 3.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 23292 | |
| 1 | 2519 | 9.5% |
| 2 | 826 | 3.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 23292 | |
| 1 | 2519 | 9.5% |
| 2 | 826 | 3.1% |
ether (alicyclic)
Categorical
| Distinct | 2 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 1 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 1 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 21152 | |
| 1 | 5485 | 20.6% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 21152 | |
| 1 | 5485 | 20.6% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 21152 | |
| 1 | 5485 | 20.6% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 21152 | |
| 1 | 5485 | 20.6% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 21152 | |
| 1 | 5485 | 20.6% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 21152 | |
| 1 | 5485 | 20.6% |
nitrate
Categorical
High correlation
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | |
| 2 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 2 |
| 3rd row | 1 |
| 4th row | 1 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 11948 | |
| 1 | 11593 | |
| 2 | 3096 | 11.6% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 11948 | |
| 1 | 11593 | |
| 2 | 3096 | 11.6% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 11948 | |
| 1 | 11593 | |
| 2 | 3096 | 11.6% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 11948 | |
| 1 | 11593 | |
| 2 | 3096 | 11.6% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 11948 | |
| 1 | 11593 | |
| 2 | 3096 | 11.6% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 11948 | |
| 1 | 11593 | |
| 2 | 3096 | 11.6% |
nitro
Categorical
Imbalance
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | |
| 2 | 54 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 22588 | |
| 1 | 3995 | 15.0% |
| 2 | 54 | 0.2% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 22588 | |
| 1 | 3995 | 15.0% |
| 2 | 54 | 0.2% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 22588 | |
| 1 | 3995 | 15.0% |
| 2 | 54 | 0.2% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 22588 | |
| 1 | 3995 | 15.0% |
| 2 | 54 | 0.2% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 22588 | |
| 1 | 3995 | 15.0% |
| 2 | 54 | 0.2% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 22588 | |
| 1 | 3995 | 15.0% |
| 2 | 54 | 0.2% |
aromatic hydroxyl
Categorical
Imbalance
| Distinct | 4 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | 10 |
| 2 | 5 |
| 3 | 3 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 26619 | |
| 1 | 10 | < 0.1% |
| 2 | 5 | < 0.1% |
| 3 | 3 | < 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 26619 | |
| 1 | 10 | < 0.1% |
| 2 | 5 | < 0.1% |
| 3 | 3 | < 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 26619 | |
| 1 | 10 | < 0.1% |
| 2 | 5 | < 0.1% |
| 3 | 3 | < 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26619 | |
| 1 | 10 | < 0.1% |
| 2 | 5 | < 0.1% |
| 3 | 3 | < 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26619 | |
| 1 | 10 | < 0.1% |
| 2 | 5 | < 0.1% |
| 3 | 3 | < 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26619 | |
| 1 | 10 | < 0.1% |
| 2 | 5 | < 0.1% |
| 3 | 3 | < 0.1% |
carbonylperoxynitrate
Categorical
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | |
| 2 | 280 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 1 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 20475 | |
| 1 | 5882 | 22.1% |
| 2 | 280 | 1.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 20475 | |
| 1 | 5882 | 22.1% |
| 2 | 280 | 1.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 20475 | |
| 1 | 5882 | 22.1% |
| 2 | 280 | 1.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 20475 | |
| 1 | 5882 | 22.1% |
| 2 | 280 | 1.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 20475 | |
| 1 | 5882 | 22.1% |
| 2 | 280 | 1.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 20475 | |
| 1 | 5882 | 22.1% |
| 2 | 280 | 1.1% |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 19147 | |
| 1 | 7490 | 28.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 19147 | |
| 1 | 7490 | 28.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 19147 | |
| 1 | 7490 | 28.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 19147 | |
| 1 | 7490 | 28.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 19147 | |
| 1 | 7490 | 28.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 19147 | |
| 1 | 7490 | 28.1% |
hydroperoxide
Categorical
| Distinct | 5 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 1 | |
|---|---|
| 0 | |
| 2 | |
| 3 | 203 |
| 4 | 1 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 1 ? |
|---|---|
| Unique (%) | < 0.1% |
Sample
| 1st row | 2 |
|---|---|
| 2nd row | 1 |
| 3rd row | 1 |
| 4th row | 1 |
| 5th row | 1 |
Common Values
| Value | Count | Frequency (%) |
| 1 | 12913 | |
| 0 | 10028 | |
| 2 | 3492 | 13.1% |
| 3 | 203 | 0.8% |
| 4 | 1 | < 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 1 | 12913 | |
| 0 | 10028 | |
| 2 | 3492 | 13.1% |
| 3 | 203 | 0.8% |
| 4 | 1 | < 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 1 | 12913 | |
| 0 | 10028 | |
| 2 | 3492 | 13.1% |
| 3 | 203 | 0.8% |
| 4 | 1 | < 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 1 | 12913 | |
| 0 | 10028 | |
| 2 | 3492 | 13.1% |
| 3 | 203 | 0.8% |
| 4 | 1 | < 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 1 | 12913 | |
| 0 | 10028 | |
| 2 | 3492 | 13.1% |
| 3 | 203 | 0.8% |
| 4 | 1 | < 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 1 | 12913 | |
| 0 | 10028 | |
| 2 | 3492 | 13.1% |
| 3 | 203 | 0.8% |
| 4 | 1 | < 0.1% |
carbonylperoxyacid
Categorical
Imbalance
| Distinct | 4 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | |
| 2 | 346 |
| 3 | 5 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 1 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 20039 | |
| 1 | 6247 | 23.5% |
| 2 | 346 | 1.3% |
| 3 | 5 | < 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 20039 | |
| 1 | 6247 | 23.5% |
| 2 | 346 | 1.3% |
| 3 | 5 | < 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 20039 | |
| 1 | 6247 | 23.5% |
| 2 | 346 | 1.3% |
| 3 | 5 | < 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 20039 | |
| 1 | 6247 | 23.5% |
| 2 | 346 | 1.3% |
| 3 | 5 | < 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 20039 | |
| 1 | 6247 | 23.5% |
| 2 | 346 | 1.3% |
| 3 | 5 | < 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 20039 | |
| 1 | 6247 | 23.5% |
| 2 | 346 | 1.3% |
| 3 | 5 | < 0.1% |
nitroester
Categorical
Imbalance
| Distinct | 3 |
|---|---|
| Distinct (%) | < 0.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 208.2 KiB |
| 0 | |
|---|---|
| 1 | 338 |
| 2 | 5 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 0 |
|---|---|
| 2nd row | 0 |
| 3rd row | 0 |
| 4th row | 0 |
| 5th row | 0 |
Common Values
| Value | Count | Frequency (%) |
| 0 | 26294 | |
| 1 | 338 | 1.3% |
| 2 | 5 | < 0.1% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 0 | 26294 | |
| 1 | 338 | 1.3% |
| 2 | 5 | < 0.1% |
Most occurring characters
| Value | Count | Frequency (%) |
| 0 | 26294 | |
| 1 | 338 | 1.3% |
| 2 | 5 | < 0.1% |
Most occurring categories
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per category
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26294 | |
| 1 | 338 | 1.3% |
| 2 | 5 | < 0.1% |
Most occurring scripts
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per script
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26294 | |
| 1 | 338 | 1.3% |
| 2 | 5 | < 0.1% |
Most occurring blocks
| Value | Count | Frequency (%) |
| (unknown) | 26637 |
Most frequent character per block
(unknown)
| Value | Count | Frequency (%) |
| 0 | 26294 | |
| 1 | 338 | 1.3% |
| 2 | 5 | < 0.1% |
Interactions
Correlations
| C=C (non-aromatic) | C=C-C=O in non-aromatic ring | ID | MW | NumHBondDonors | NumOfAtoms | NumOfC | NumOfConf | NumOfConfUsed | NumOfN | NumOfO | aldehyde | aromatic hydroxyl | carbonylperoxyacid | carbonylperoxynitrate | carboxylic acid | ester | ether (alicyclic) | hydroperoxide | hydroxyl (alkyl) | ketone | log_pSat_Pa | nitrate | nitro | nitroester | parentspecies | peroxide | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| C=C (non-aromatic) | 1.000 | 0.251 | 0.000 | 0.113 | 0.032 | 0.162 | 0.141 | 0.138 | 0.091 | 0.092 | 0.090 | 0.028 | 0.000 | 0.038 | 0.000 | 0.042 | 0.075 | 0.151 | 0.022 | 0.068 | 0.146 | 0.041 | 0.135 | 0.057 | 0.009 | 0.133 | 0.034 |
| C=C-C=O in non-aromatic ring | 0.251 | 1.000 | 0.012 | 0.062 | 0.008 | 0.075 | 0.069 | 0.067 | 0.076 | 0.056 | 0.052 | 0.053 | 0.000 | 0.017 | 0.024 | 0.000 | 0.025 | 0.015 | 0.003 | 0.031 | 0.062 | 0.014 | 0.037 | 0.000 | 0.001 | 0.051 | 0.117 |
| ID | 0.000 | 0.012 | 1.000 | 0.002 | 0.004 | 0.004 | 0.000 | -0.003 | -0.001 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.008 | 0.007 | 0.000 | 0.019 | 0.008 | 0.007 | -0.001 | 0.003 | 0.000 | 0.014 | 0.000 | 0.006 | 0.000 |
| MW | 0.113 | 0.062 | 0.002 | 1.000 | 0.061 | 0.705 | 0.338 | 0.453 | 0.283 | 0.642 | 0.880 | 0.055 | 0.062 | 0.057 | 0.358 | 0.046 | 0.032 | 0.092 | 0.069 | 0.029 | -0.026 | -0.166 | 0.363 | 0.081 | 0.024 | 0.259 | 0.127 |
| NumHBondDonors | 0.032 | 0.008 | 0.004 | 0.061 | 1.000 | -0.002 | -0.153 | 0.458 | -0.278 | 0.204 | 0.227 | 0.067 | 0.008 | 0.118 | 0.085 | 0.164 | 0.055 | 0.140 | 0.200 | 0.597 | -0.316 | -0.679 | 0.205 | 0.076 | 0.012 | 0.133 | 0.116 |
| NumOfAtoms | 0.162 | 0.075 | 0.004 | 0.705 | -0.002 | 1.000 | 0.789 | 0.516 | 0.398 | 0.374 | 0.336 | 0.093 | 0.049 | 0.049 | 0.150 | 0.102 | 0.152 | 0.255 | 0.100 | -0.024 | 0.040 | -0.294 | 0.357 | 0.141 | 0.043 | 0.320 | 0.231 |
| NumOfC | 0.141 | 0.069 | 0.000 | 0.338 | -0.153 | 0.789 | 1.000 | 0.271 | 0.281 | 0.107 | -0.064 | 0.080 | 0.000 | 0.055 | 0.065 | 0.089 | 0.160 | 0.272 | 0.045 | -0.101 | 0.266 | -0.270 | 0.199 | 0.167 | 0.040 | 0.369 | 0.297 |
| NumOfConf | 0.138 | 0.067 | -0.003 | 0.453 | 0.458 | 0.516 | 0.271 | 1.000 | 0.444 | 0.093 | 0.380 | 0.033 | 0.000 | 0.049 | 0.057 | 0.148 | 0.080 | 0.142 | 0.188 | 0.157 | -0.056 | -0.548 | 0.105 | 0.078 | 0.000 | 0.083 | 0.155 |
| NumOfConfUsed | 0.091 | 0.076 | -0.001 | 0.283 | -0.278 | 0.398 | 0.281 | 0.444 | 1.000 | 0.201 | 0.126 | 0.018 | 0.038 | 0.152 | 0.115 | 0.032 | 0.060 | 0.181 | 0.112 | -0.341 | 0.101 | 0.029 | 0.204 | 0.129 | 0.033 | 0.159 | 0.161 |
| NumOfN | 0.092 | 0.056 | 0.009 | 0.642 | 0.204 | 0.374 | 0.107 | 0.093 | 0.201 | 1.000 | 0.522 | 0.100 | 0.013 | 0.060 | 0.280 | 0.090 | 0.071 | 0.033 | 0.136 | 0.047 | 0.067 | 0.161 | 0.569 | 0.167 | 0.043 | 0.082 | 0.016 |
| NumOfO | 0.090 | 0.052 | 0.000 | 0.880 | 0.227 | 0.336 | -0.064 | 0.380 | 0.126 | 0.522 | 1.000 | 0.035 | 0.073 | 0.104 | 0.413 | 0.044 | 0.062 | 0.050 | 0.061 | 0.108 | -0.115 | -0.123 | 0.226 | 0.111 | 0.033 | 0.205 | 0.277 |
| aldehyde | 0.028 | 0.053 | 0.000 | 0.055 | 0.067 | 0.093 | 0.080 | 0.033 | 0.018 | 0.100 | 0.035 | 1.000 | 0.000 | 0.066 | 0.067 | 0.063 | 0.022 | 0.085 | 0.023 | 0.023 | 0.103 | 0.026 | 0.060 | 0.030 | 0.016 | 0.111 | 0.072 |
| aromatic hydroxyl | 0.000 | 0.000 | 0.000 | 0.062 | 0.008 | 0.049 | 0.000 | 0.000 | 0.038 | 0.013 | 0.073 | 0.000 | 1.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.008 | 0.000 | 0.011 | 0.014 | 0.000 | 0.017 | 0.016 | 0.000 | 0.000 | 0.012 |
| carbonylperoxyacid | 0.038 | 0.017 | 0.000 | 0.057 | 0.118 | 0.049 | 0.055 | 0.049 | 0.152 | 0.060 | 0.104 | 0.066 | 0.000 | 1.000 | 0.094 | 0.102 | 0.013 | 0.110 | 0.110 | 0.044 | 0.079 | 0.066 | 0.015 | 0.010 | 0.000 | 0.077 | 0.027 |
| carbonylperoxynitrate | 0.000 | 0.024 | 0.008 | 0.358 | 0.085 | 0.150 | 0.065 | 0.057 | 0.115 | 0.280 | 0.413 | 0.067 | 0.000 | 0.094 | 1.000 | 0.076 | 0.000 | 0.051 | 0.044 | 0.036 | 0.092 | 0.161 | 0.164 | 0.080 | 0.024 | 0.079 | 0.000 |
| carboxylic acid | 0.042 | 0.000 | 0.007 | 0.046 | 0.164 | 0.102 | 0.089 | 0.148 | 0.032 | 0.090 | 0.044 | 0.063 | 0.000 | 0.102 | 0.076 | 1.000 | 0.033 | 0.089 | 0.080 | 0.050 | 0.099 | 0.178 | 0.059 | 0.029 | 0.000 | 0.111 | 0.036 |
| ester | 0.075 | 0.025 | 0.000 | 0.032 | 0.055 | 0.152 | 0.160 | 0.080 | 0.060 | 0.071 | 0.062 | 0.022 | 0.000 | 0.013 | 0.000 | 0.033 | 1.000 | 0.193 | 0.095 | 0.028 | 0.093 | 0.066 | 0.078 | 0.062 | 0.120 | 0.184 | 0.237 |
| ether (alicyclic) | 0.151 | 0.015 | 0.019 | 0.092 | 0.140 | 0.255 | 0.272 | 0.142 | 0.181 | 0.033 | 0.050 | 0.085 | 0.008 | 0.110 | 0.051 | 0.089 | 0.193 | 1.000 | 0.033 | 0.042 | 0.252 | 0.051 | 0.134 | 0.126 | 0.058 | 0.350 | 0.318 |
| hydroperoxide | 0.022 | 0.003 | 0.008 | 0.069 | 0.200 | 0.100 | 0.045 | 0.188 | 0.112 | 0.136 | 0.061 | 0.023 | 0.000 | 0.110 | 0.044 | 0.080 | 0.095 | 0.033 | 1.000 | 0.105 | 0.052 | 0.159 | 0.100 | 0.026 | 0.013 | 0.056 | 0.116 |
| hydroxyl (alkyl) | 0.068 | 0.031 | 0.007 | 0.029 | 0.597 | -0.024 | -0.101 | 0.157 | -0.341 | 0.047 | 0.108 | 0.023 | 0.011 | 0.044 | 0.036 | 0.050 | 0.028 | 0.042 | 0.105 | 1.000 | -0.114 | -0.289 | 0.116 | 0.092 | 0.017 | 0.119 | 0.208 |
| ketone | 0.146 | 0.062 | -0.001 | -0.026 | -0.316 | 0.040 | 0.266 | -0.056 | 0.101 | 0.067 | -0.115 | 0.103 | 0.014 | 0.079 | 0.092 | 0.099 | 0.093 | 0.252 | 0.052 | -0.114 | 1.000 | 0.156 | 0.040 | 0.033 | 0.025 | 0.104 | 0.092 |
| log_pSat_Pa | 0.041 | 0.014 | 0.003 | -0.166 | -0.679 | -0.294 | -0.270 | -0.548 | 0.029 | 0.161 | -0.123 | 0.026 | 0.000 | 0.066 | 0.161 | 0.178 | 0.066 | 0.051 | 0.159 | -0.289 | 0.156 | 1.000 | 0.112 | 0.034 | 0.036 | 0.129 | 0.041 |
| nitrate | 0.135 | 0.037 | 0.000 | 0.363 | 0.205 | 0.357 | 0.199 | 0.105 | 0.204 | 0.569 | 0.226 | 0.060 | 0.017 | 0.015 | 0.164 | 0.059 | 0.078 | 0.134 | 0.100 | 0.116 | 0.040 | 0.112 | 1.000 | 0.185 | 0.051 | 0.221 | 0.058 |
| nitro | 0.057 | 0.000 | 0.014 | 0.081 | 0.076 | 0.141 | 0.167 | 0.078 | 0.129 | 0.167 | 0.111 | 0.030 | 0.016 | 0.010 | 0.080 | 0.029 | 0.062 | 0.126 | 0.026 | 0.092 | 0.033 | 0.034 | 0.185 | 1.000 | 0.209 | 0.204 | 0.116 |
| nitroester | 0.009 | 0.001 | 0.000 | 0.024 | 0.012 | 0.043 | 0.040 | 0.000 | 0.033 | 0.043 | 0.033 | 0.016 | 0.000 | 0.000 | 0.024 | 0.000 | 0.120 | 0.058 | 0.013 | 0.017 | 0.025 | 0.036 | 0.051 | 0.209 | 1.000 | 0.053 | 0.071 |
| parentspecies | 0.133 | 0.051 | 0.006 | 0.259 | 0.133 | 0.320 | 0.369 | 0.083 | 0.159 | 0.082 | 0.205 | 0.111 | 0.000 | 0.077 | 0.079 | 0.111 | 0.184 | 0.350 | 0.056 | 0.119 | 0.104 | 0.129 | 0.221 | 0.204 | 0.053 | 1.000 | 0.364 |
| peroxide | 0.034 | 0.117 | 0.000 | 0.127 | 0.116 | 0.231 | 0.297 | 0.155 | 0.161 | 0.016 | 0.277 | 0.072 | 0.012 | 0.027 | 0.000 | 0.036 | 0.237 | 0.318 | 0.116 | 0.208 | 0.092 | 0.041 | 0.058 | 0.116 | 0.071 | 0.364 | 1.000 |
Missing values
A simple visualization of nullity by column.
Nullity matrix is a data-dense display which lets you quickly visually pick out patterns in data completion.
Sample
| ID | log_pSat_Pa | MW | NumOfAtoms | NumOfC | NumOfO | NumOfN | NumHBondDonors | NumOfConf | NumOfConfUsed | parentspecies | C=C (non-aromatic) | C=C-C=O in non-aromatic ring | hydroxyl (alkyl) | aldehyde | ketone | carboxylic acid | ester | ether (alicyclic) | nitrate | nitro | aromatic hydroxyl | carbonylperoxynitrate | peroxide | hydroperoxide | carbonylperoxyacid | nitroester | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | 0 | -11.295070 | 224.016832 | 23 | 6 | 9 | 0 | 4 | 485.0 | 40.0 | toluene | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 |
| 1 | 1 | -4.782500 | 310.064845 | 35 | 9 | 10 | 2 | 1 | 236.0 | 40.0 | apin | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
| 2 | 2 | -6.204319 | 368.033938 | 37 | 10 | 13 | 2 | 1 | 308.0 | 40.0 | apin | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 |
| 3 | 3 | -9.672591 | 299.012475 | 29 | 7 | 12 | 1 | 4 | 769.0 | 3.0 | toluene | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
| 4 | 4 | -4.252058 | 202.011353 | 20 | 7 | 7 | 0 | 1 | 77.0 | 32.0 | toluene | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
| 5 | 5 | -9.843756 | 238.032482 | 26 | 7 | 9 | 0 | 3 | 483.0 | 40.0 | NaN | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 |
| 6 | 6 | 1.936301 | 241.965859 | 18 | 3 | 11 | 2 | 1 | 41.0 | 17.0 | toluene | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 |
| 7 | 7 | -10.476294 | 303.007389 | 29 | 6 | 13 | 1 | 5 | 238.0 | 29.0 | toluene | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 3 | 0 | 0 |
| 8 | 8 | -5.617627 | 284.996825 | 26 | 6 | 12 | 1 | 3 | 487.0 | 40.0 | toluene | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 |
| 9 | 9 | -6.581878 | 310.976089 | 26 | 7 | 13 | 1 | 2 | 378.0 | 40.0 | toluene | 0 | 0 | 0 | 1 | 1 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
| ID | log_pSat_Pa | MW | NumOfAtoms | NumOfC | NumOfO | NumOfN | NumHBondDonors | NumOfConf | NumOfConfUsed | parentspecies | C=C (non-aromatic) | C=C-C=O in non-aromatic ring | hydroxyl (alkyl) | aldehyde | ketone | carboxylic acid | ester | ether (alicyclic) | nitrate | nitro | aromatic hydroxyl | carbonylperoxynitrate | peroxide | hydroperoxide | carbonylperoxyacid | nitroester | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 26627 | 31627 | -3.608671 | 357.976817 | 30 | 7 | 15 | 2 | 2 | 330.0 | 27.0 | toluene | 0 | 0 | 2 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 0 | 0 | 0 |
| 26628 | 31628 | -12.154078 | 315.007389 | 30 | 7 | 13 | 1 | 4 | 554.0 | 7.0 | toluene | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 2 | 1 | 0 |
| 26629 | 31629 | -4.189750 | 239.027731 | 25 | 6 | 9 | 1 | 2 | 272.0 | 40.0 | apin | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 |
| 26630 | 31630 | -7.013726 | 266.986260 | 23 | 6 | 11 | 1 | 3 | 346.0 | 11.0 | toluene | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 |
| 26631 | 31631 | -7.552853 | 265.006995 | 25 | 7 | 10 | 1 | 2 | 80.0 | 14.0 | toluene | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 0 |
| 26632 | 31632 | -1.210727 | 221.017166 | 22 | 6 | 8 | 1 | 1 | 47.0 | 37.0 | toluene | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
| 26633 | 31633 | -7.525230 | 222.001182 | 21 | 6 | 9 | 0 | 3 | 323.0 | 12.0 | toluene | 0 | 0 | 1 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
| 26634 | 31634 | -8.852094 | 287.012475 | 28 | 6 | 12 | 1 | 4 | 362.0 | 11.0 | toluene | 0 | 0 | 2 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 2 | 0 | 0 |
| 26635 | 31635 | -6.564478 | 284.996825 | 26 | 6 | 12 | 1 | 3 | 322.0 | 35.0 | toluene | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 1 | 0 |
| 26636 | 31636 | -2.796255 | 267.022645 | 27 | 7 | 10 | 1 | 2 | 144.0 | 23.0 | apin | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 |